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BDBM50196105 CHEMBL3954370

SMILES: O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12

InChI Key: InChIKey=IDJUAWMLSORTJP-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196105   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50196105
PNG
(CHEMBL3954370)
Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |r,wU:4.7,wD:1.0,(10,-12.73,;9.53,-11.27,;10.56,-10.12,;10.09,-8.65,;8.59,-8.33,;7.55,-9.48,;8.02,-10.94,;8.1,-6.87,;9.02,-5.61,;10.56,-5.61,;11.32,-4.28,;10.55,-2.95,;12.86,-4.28,;13.63,-2.95,;15.16,-2.94,;15.94,-4.28,;15.17,-5.62,;13.63,-5.62,;15.94,-6.95,;15.17,-8.28,;17.48,-6.95,;16.7,-8.28,;8.1,-4.36,;6.63,-4.84,;5.29,-4.07,;3.96,-4.85,;3.96,-6.39,;5.3,-7.16,;6.63,-6.39,)|
Show InChI InChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29)/t15-,16-
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Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins follo...

J Med Chem 59: 6671-89 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01985
BindingDB Entry DOI: 10.7270/Q2RF5X00
More data for this
Ligand-Target Pair